4-Benzyl-6-chloro-7-methyl-3-phenylcoumarin
TL;DR: 4-Benzyl-6-chloro-7-methyl-3-phenylcoumarin (CAS 720673-14-3) is a chemical compound with molecular formula C23H17ClO2 and molecular weight 360.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-6-chloro-7-methyl-3-phenylchromen-2-one
Also Known As: 4-BENZYL-6-CHLORO-7-METHYL-3-PHENYLCOUMARIN, 4-benzyl-6-chloro-7-methyl-3-phenylchromen-2-one, 4-benzyl-6-chloro-7-methyl-3-phenyl-chromen-2-one, 6-chloro-7-methyl-3-phenyl-4-benzylchromen-2-one
| Molecular Formula | C23H17ClO2 |
|---|---|
| Molecular Weight | 360.09 g/mol |
| LogP | 6.01262 |
| Topological Polar Surface Area | 30.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 360.0917 |
| Heavy Atoms | 26 |
| Complexity | 1129.6737 |
Chemical Identifiers
| CAS Number | 720673-14-3 |
|---|---|
| SMILES | CC1=CC2=C(C=C1Cl)C(=C(C(=O)O2)C3=CC=CC=C3)CC4=CC=CC=C4 |
Product Overview
4-Benzyl-6-chloro-7-methyl-3-phenylcoumarin (CAS 720673-14-3), with molecular formula C23H17ClO2 and molecular weight 360.09 g/mol. IUPAC: 4-benzyl-6-chloro-7-methyl-3-phenylchromen-2-one.
Chemical Property Profile of 4-Benzyl-6-chloro-7-methyl-3-phenylcoumarin
Property Insights of 4-Benzyl-6-chloro-7-methyl-3-phenylcoumarin
The XLogP value of 6.01262 indicates that 4-Benzyl-6-chloro-7-methyl-3-phenylcoumarin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.21 Ų, 4-Benzyl-6-chloro-7-methyl-3-phenylcoumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Benzyl-6-chloro-7-methyl-3-phenylcoumarin has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Benzyl-6-chloro-7-methyl-3-phenylcoumarin?
The CAS number of 4-Benzyl-6-chloro-7-methyl-3-phenylcoumarin is 720673-14-3.
What is the molecular formula of 4-Benzyl-6-chloro-7-methyl-3-phenylcoumarin?
The molecular formula of 4-Benzyl-6-chloro-7-methyl-3-phenylcoumarin is C23H17ClO2.
What is the molecular weight of 4-Benzyl-6-chloro-7-methyl-3-phenylcoumarin?
The molecular weight of 4-Benzyl-6-chloro-7-methyl-3-phenylcoumarin is 360.09 g/mol.
Where can I buy 4-Benzyl-6-chloro-7-methyl-3-phenylcoumarin?
You can request a quote for 4-Benzyl-6-chloro-7-methyl-3-phenylcoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Benzyl-6-chloro-7-methyl-3-phenylcoumarin?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzyl-6-chloro-7-methyl-3-phenylcoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.